2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine

C8H16N4 — CID 79257026

IUPAC2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-6-10-7(12-11-6)5-9-8(2,3)4/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyHUSIDIQZFKSPSA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 79257026) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID79257026
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-6-10-7(12-11-6)5-9-8(2,3)4/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyHUSIDIQZFKSPSA-UHFFFAOYSA-N
XLogP1.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 79257026) is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine is Cc1nc(CNC(C)(C)C)n[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is HUSIDIQZFKSPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6-10-7(12-11-6)5-9-8(2,3)4/h9H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine?
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 79257026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).